ethyl 4-methyl-2-[4-(phenylsulfonyl)butanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[4-(phenylsulfonyl)butanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[4-(benzenesulfonyl)-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[4-(benzenesulfonyl)butanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-(4-besylbutanoylamino)-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CCCS(=O)(=O)C2=CC=CC=C2)C

InChI

InChI=1S/C17H20N2O5S2/c1-3-24-16(21)15-12(2)18-17(25-15)19-14(20)10-7-11-26(22,23)13-8-5-4-6-9-13/h4-6,8-9H,3,7,10-11H2,1-2H3,(H,18,19,20)